5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide

C14H11ClN6O2 — CID 155585130

IUPAC5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
SMILESNC(=NO)c1ccc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1
InChIInChI=1S/C14H11ClN6O2/c15-8-1-3-10(17-5-8)12-7-19-14(23-12)20-9-2-4-11(18-6-9)13(16)21-22/h1-7,22H,(H2,16,21)(H,19,20)
InChIKeyVOXNOAKUKRIJNO-UHFFFAOYSA-N
MW330.74 g/mol
LogP2.62
Rot. Bonds4

About 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide

5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 155585130) has the molecular formula C14H11ClN6O2 and a molecular weight of 330.74 g/mol. Its IUPAC name is 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
PubChem CID155585130
Molecular FormulaC14H11ClN6O2
Molecular Weight330.74 g/mol
Exact Mass330.06
IUPAC Name5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
SMILESNC(=NO)c1ccc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1
InChIInChI=1S/C14H11ClN6O2/c15-8-1-3-10(17-5-8)12-7-19-14(23-12)20-9-2-4-11(18-6-9)13(16)21-22/h1-7,22H,(H2,16,21)(H,19,20)
InChIKeyVOXNOAKUKRIJNO-UHFFFAOYSA-N
XLogP2.62
TPSA122.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide (CID 155585130) is 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide is NC(=NO)c1ccc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1.
What is the InChIKey of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is VOXNOAKUKRIJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6O2/c15-8-1-3-10(17-5-8)12-7-19-14(23-12)20-9-2-4-11(18-6-9)13(16)21-22/h1-7,22H,(H2,16,21)(H,19,20).
What are the key properties of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 330.74 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 155585130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).